Information card for entry 7041182

Structure parameters

• Formula: C37 H26 F4 Ir N3 O
• Calculated formula: C37 H26 F4 Ir N3 O
• SMILES: [Ir]123(Oc4c(C=[N]2[C@H](c2ccccc2)C)cccc4)([n]2c(cccc2)c2c3cc(F)cc2F)c2c(c3[n]1cccc3)c(F)cc(F)c2
• Title of publication: Iridium(iii) phosphorescent complexes with dual stereogenic centers: single crystal, electronic circular dichroism evidence and circularly polarized luminescence properties.
• Authors of publication: Li, Tian-Yi; Zheng, You-Xuan; Zhou, Yong-Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 48
• Pages of publication: 19234 - 19237
• a: 9.696 ± 0.004 Å
• b: 12.172 ± 0.005 Å
• c: 26.736 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3155 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No